4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol

C22H21N3O3 — CID 91465452

IUPAC4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol
SMILESOc1ccc(-c2c(O)c(O)n(CCCn3ccnc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H21N3O3/c26-18-9-7-16(8-10-18)19-20(17-5-2-1-3-6-17)25(22(28)21(19)27)13-4-12-24-14-11-23-15-24/h1-3,5-11,14-15,26-28H,4,12-13H2
InChIKeyFRCBHYPYCRVDFD-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.23
Rot. Bonds6

About 4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol

4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol (PubChem CID 91465452) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol
PubChem CID91465452
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol
SMILESOc1ccc(-c2c(O)c(O)n(CCCn3ccnc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H21N3O3/c26-18-9-7-16(8-10-18)19-20(17-5-2-1-3-6-17)25(22(28)21(19)27)13-4-12-24-14-11-23-15-24/h1-3,5-11,14-15,26-28H,4,12-13H2
InChIKeyFRCBHYPYCRVDFD-UHFFFAOYSA-N
XLogP4.23
TPSA83.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol
CID 136641839
5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 90763889
1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol
CID 90805674
1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol
CID 91509535
5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 136659472
5-[5-(hydroxymethyl)furan-2-yl]-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 91311586
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-phenylpyrrole-2,3-diol
CID 91392022
1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol
CID 90890564
5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol
CID 91140340
5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 90896095
5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91019917
1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol
CID 91539299

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol?
The IUPAC name of 4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol (CID 91465452) is 4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol.
What is the SMILES notation for 4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol?
The canonical SMILES for 4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol is Oc1ccc(-c2c(O)c(O)n(CCCn3ccnc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol?
The InChIKey is FRCBHYPYCRVDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-18-9-7-16(8-10-18)19-20(17-5-2-1-3-6-17)25(22(28)21(19)27)13-4-12-24-14-11-23-15-24/h1-3,5-11,14-15,26-28H,4,12-13H2.
What are the key properties of 4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol?
4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol has a molecular weight of 375.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol is sourced from PubChem (CID 91465452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).